UCSF

ZINC69083101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: (2S)-3-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-2-(ethylamin (2S)-3-[(9aR)-1,3,4,5,7,8,9,9a-o…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 7.28 -32.44 2 4 1 43 277.436 5 ↓
Hi High (pH 8-9.5) 1.77 5.71 -7.67 1 4 0 42 276.428 5 ↓
Lo Low (pH 4.5-6) 1.77 7.92 -90.56 3 4 2 48 278.444 5 ↓
Lo Low (pH 4.5-6) 1.77 8.96 -106.73 3 4 2 45 278.444 5 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.